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	hartrees
Energy at 0K	-343.502866
Energy at 298.15K	-343.507284
HF Energy	-343.502866
Nuclear repulsion energy	23.036960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2481	2370	20.22
2	A₁	1811	1730	4.59
3	A₁	997	953	0.00
4	A₁	896	855	6.28
5	A₂	1204	1151	0.00
6	B₁	2499	2388	45.34
7	B₁	834	797	14.31
8	B₂	1442	1378	582.73
9	B₂	1118	1068	145.46

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.084
H2	0.000	1.524	0.198
H3	0.000	-1.524	0.198
H4	1.077	0.000	-0.830
H5	-1.077	0.000	-0.830

	P1	H2	H3	H4	H5
P1		1.5286	1.5286	1.4125	1.4125
H2	1.5286		3.0488	2.1306	2.1306
H3	1.5286	3.0488		2.1306	2.1306
H4	1.4125	2.1306	2.1306		2.1542
H5	1.4125	2.1306	2.1306	2.1542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	P1	H3	171.481	H2	P1	H4	92.754
H2	P1	H5	92.754	H3	P1	H4	92.754
H3	P1	H5	92.754	H4	P1	H5	99.375

All results from a given calculation for PH₄ (Phosphoranyl radical)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	P	0.020
2	H	-0.045
3	H	-0.045
4	H	0.035
5	H	0.035

	x	y	z	Total
	0.000	0.000	-0.537	0.537
CHELPG
AIM
ESP

<r²>	19.140
(<r²>)^1/2	4.375

All results from a given calculation for PH4 (Phosphoranyl radical)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for PH₄ (Phosphoranyl radical)